SCHEMBL627187

SCHEMBL627187

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nn2c(I)cnc2s1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.44
FAAH O00519 1/20 0.40
LIMK2 P53671 1/20 0.39
GLS O94925 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GRIN2B Q13224 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL622972 0.86 GPR119 (0.45) GPR119
SCHEMBL624433 0.81 FYN (0.47) GPR119LIMK2
SCHEMBL627188 0.81 GPR119 (0.40) GPR119FAAHLIMK2GLSKDM4E
SCHEMBL627066 0.80 KDM4E (0.46) GPR119GLSKDM4EPKM
SCHEMBL625330 0.79 PIM1 (0.52)
SCHEMBL627262 0.76 CCNA2 (0.48) GPR119
SCHEMBL622971 0.76 ALDH1A1 (0.41) GPR119GLSKDM4EPKM
SCHEMBL627264 0.74 CKS1B (0.43) GPR119
SCHEMBL2394158 0.73 KDM4E (0.48) GPR119LIMK2KDM4EPKM
SCHEMBL1401260 0.71 HPGD (0.53) GPR119FAAHLIMK2KDM4EPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed